Cyclohexanol, 3-methyl-, trans-

Base Information

• Chemical Name: Cyclohexanol, 3-methyl-, trans-
• CAS No.: 7443-55-2
• Molecular Formula: C7H14O
• Molecular Weight: 114.188
• DSSTox Substance ID: DTXSID001032694
• Mol file: 7443-55-2.mol

Synonyms:trans-3-Methylcyclohexanol;Cyclohexanol, 3-methyl-, trans-;7443-55-2;SCHEMBL14042004;DTXSID001032694

Chemical Property of Cyclohexanol, 3-methyl-, trans-

Chemical Property:

• Vapor Pressure: 0.475mmHg at 25°C
• Boiling Point: 170.3°Cat760mmHg
• Flash Point: 62.8°C
• PSA: 20.23000
• Density: 0.925g/cm³
• LogP: 1.55740
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 114.104465066
• Heavy Atom Count: 8
• Complexity: 70.8

Purity/Quality:

98.5% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCCC(C1)O
• Isomeric SMILES: CC1CCC[C@H](C1)O

Technology Process of Cyclohexanol, 3-methyl-, trans-

There total 61 articles about Cyclohexanol, 3-methyl-, trans- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

3-Methylcyclohexanone (591-24-2,625-96-7) → (1S,3S)-3-methylcyclohexanol (50538-78-8,591-23-1,5454-79-5,7443-55-2,23068-71-5,24965-90-0,24965-91-1,24965-92-2,24965-94-4) + (3R)-3-methylcyclohexanone (13368-65-5)

Guidance literature:

With NADPH; aq. Bis-Tris-buffer; In octane; at 60 ℃; for 10.4h; pH=6; electroenzymatic reduction;

DOI:10.1002/adsc.200700059

Reference yield:

methyl cyclohexane (82166-21-0) → 1-Methylcyclohexanol (590-67-0) + trans-4-methylcyclohexan-1-ol (7731-29-5) + cis-4-methylcyclohexanol (7731-28-4) + (+/-)-trans-2-methylcyclohexanol (7443-52-9) + cis-2-methylcyclohexanol (7443-70-1) + rac-trans-3-methylcyclohexanol (7443-55-2) + cis-3-methylcyclohexanol (5454-79-5) + 1-methylcyclohexan-4-one (589-92-4) + 2-Methylcyclohexanone (583-60-8) + cyclohexylmethyl alcohol (100-49-2) + cyclohexanecarbaldehyde (2043-61-0) + 3-Methylcyclohexanone (591-24-2,625-96-7)

Guidance literature:

With C₂₂H₁₇BClF₉N₆NiO₃; at 70 ℃; for 6h; Inert atmosphere;

DOI:10.1021/ja4020277

Reference yield:

methyl cyclohexane (82166-21-0) → 1-Methylcyclohexanol (590-67-0) + cis-4-methylcyclohexanol (7731-28-4) + rac-trans-3-methylcyclohexanol (7443-55-2) + cis-3-methylcyclohexanol (5454-79-5) + 1-methylcyclohexan-4-one (589-92-4) + 2-Methylcyclohexanone (583-60-8) + 3-Methylcyclohexanone (591-24-2,625-96-7)

Guidance literature:

methyl cyclohexane; With tert.-butylhydroperoxide; (OC₂H₄)(OHC₂H₄)NC₂H₄N(C₂H₄OH)Cu(thiocyanate); In water; acetonitrile; at 70 ℃; for 3h; under 760.051 Torr;

With triphenylphosphine; In water; acetonitrile; regioselective reaction;

DOI:10.1016/j.molcata.2011.08.028

upstream raw materials:

3-methylcyclohex-2-en-1-ol

(S)-3-methylcyclohexanone

3-Methylcyclohexanone

(S)-seudenol

Downstream raw materials:

cis-3-methylcyclohexanol

(S)-3-methylcyclohexanone

3-Methylcyclohexanone

(1R,3S)-1-amino-3-methylcyclohexane

Refernces

• 1、 Shumski, Alexander J.,Swann, William A.,Escorcia, Nicole J.,Li, Christina W.. "Heterogeneous Hydroxyl-Directed Hydrogenation: Control of Diastereoselectivity through Bimetallic Surface Composition". . p. 6128 - 6134. Retrieved 2021/05/29.
• 2、 Zhong, Rui,Wei, Zeyuan,Zhang, Wei,Liu, Shun,Liu, Qiang. "A Practical and Stereoselective In Situ NHC-Cobalt Catalytic System for Hydrogenation of Ketones and Aldehydes". supporting information. p. 1552 - 1566. Retrieved 2019/06/14.